HMDB0060827 RDKit 3D ID11614 28 30 0 0 0 0 0 0 0 0999 V2000 4.1697 0.7533 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 1.3464 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 0.8559 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -0.2763 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 -0.8579 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -0.4086 -0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 0.8922 -0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 0.7430 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5913 0.2399 0.0059 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.4361 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -1.2714 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 -1.9365 -1.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -2.1708 -1.4476 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -0.8593 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 -0.3704 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 1.1242 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0873 2.2334 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 1.3988 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 1.6081 0.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 1.3215 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1275 1.7970 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 0.1929 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 -0.3714 -0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 -1.1332 1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 0.2463 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -1.9030 -0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2424 -1.8897 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 -0.8683 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 5 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 1 1 0 14 4 1 0 11 6 1 0 1 16 1 0 2 17 1 0 3 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 15 28 1 0 M END